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CAS No.: | 79110-05-7 |
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Name: | 1-(2-Fluoro-5-nitrophenyl)ethan-1-one |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C8H6FNO3 |
Molecular Weight: | 183.139 |
Synonyms: | 1-(2-Fluoro-5-nitrophenyl)ethanone;2'-Fluoro-5'-nitroacetophenone; |
EINECS: | 639-356-2 |
Density: | 1.336 g/cm3 |
Melting Point: | 53-54 °C |
Boiling Point: | 241 °C at 760 mmHg |
Flash Point: | 99.6 °C |
Hazard Symbols: | Xi |
PSA: | 62.89000 |
LogP: | 2.45970 |
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The Ethanone,1-(2-fluoro-5-nitrophenyl)-, with the CAS registry number 79110-05-7, is also known as 2'-Fluoro-5'-nitroacetophenone. This chemical's molecular formula is C8H6FNO3 and molecular weight is 183.1365432. What's more, its systematic name is called 1-(2-Fluoro-5-nitrophenyl)ethanone. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Ethanone,1-(2-fluoro-5-nitrophenyl)- are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.94; (6)ACD/BCF (pH 7.4): 2.94; (7)ACD/KOC (pH 5.5): 75.39; (8)ACD/KOC (pH 7.4): 75.39; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 42.82 cm3; (15)Molar Volume: 137 cm3; (16)Surface Tension: 45 dyne/cm; (17)Density: 1.336 g/cm3; (18)Flash Point: 99.6 °C; (19)Enthalpy of Vaporization: 47.8 kJ/mol; (20)Boiling Point: 241 °C at 760 mmHg; (21)Vapour Pressure: 0.0367 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(ccc1F)[N+]([O-])=O)C
(2) InChI: InChI=1/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
(3) InChIKey: BCXOSCQTHVTUET-UHFFFAOYAG